2,5-dichloro-4-hexan-2-ylpyrimidine

C10H14Cl2N2 — CID 91259461

IUPAC2,5-dichloro-4-hexan-2-ylpyrimidine
SMILESCCCCC(C)c1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-3-4-5-7(2)9-8(11)6-13-10(12)14-9/h6-7H,3-5H2,1-2H3
InChIKeySHUVXHROYMFNTC-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.08
Rot. Bonds4

About 2,5-dichloro-4-hexan-2-ylpyrimidine

2,5-dichloro-4-hexan-2-ylpyrimidine (PubChem CID 91259461) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 2,5-dichloro-4-hexan-2-ylpyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-hexan-2-ylpyrimidine
PubChem CID91259461
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name2,5-dichloro-4-hexan-2-ylpyrimidine
SMILESCCCCC(C)c1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-3-4-5-7(2)9-8(11)6-13-10(12)14-9/h6-7H,3-5H2,1-2H3
InChIKeySHUVXHROYMFNTC-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-hexan-2-ylpyrimidine?
The IUPAC name of 2,5-dichloro-4-hexan-2-ylpyrimidine (CID 91259461) is 2,5-dichloro-4-hexan-2-ylpyrimidine.
What is the SMILES notation for 2,5-dichloro-4-hexan-2-ylpyrimidine?
The canonical SMILES for 2,5-dichloro-4-hexan-2-ylpyrimidine is CCCCC(C)c1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-hexan-2-ylpyrimidine?
The InChIKey is SHUVXHROYMFNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-3-4-5-7(2)9-8(11)6-13-10(12)14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,5-dichloro-4-hexan-2-ylpyrimidine?
2,5-dichloro-4-hexan-2-ylpyrimidine has a molecular weight of 233.14 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-hexan-2-ylpyrimidine is sourced from PubChem (CID 91259461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).